Geometry & MOs

Info

ID:	80637
PubChem CID:	49835672
Reduced:	O3N7H23C24 (1)
Stoich.:	A3B7C23D24 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	0.41
Dipole, Da:	5.33
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(1-cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=NN(C=C1N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=C(N=C5)OC)C(=O)NC)C

DOS

IR

Vibrations